cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H29N5O2 — CID 70734371

IUPACcyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H29N5O2/c1-21-16(12-22-9-6-15(24)7-10-22)19-20-17(21)14-3-2-8-23(11-14)18(25)13-4-5-13/h13-15,24H,2-12H2,1H3
InChIKeyJQXMTOIVRHHVPJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.89
Rot. Bonds4

About cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70734371) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70734371
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Namecyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H29N5O2/c1-21-16(12-22-9-6-15(24)7-10-22)19-20-17(21)14-3-2-8-23(11-14)18(25)13-4-5-13/h13-15,24H,2-12H2,1H3
InChIKeyJQXMTOIVRHHVPJ-UHFFFAOYSA-N
XLogP0.89
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70734371) is cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is JQXMTOIVRHHVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-16(12-22-9-6-15(24)7-10-22)19-20-17(21)14-3-2-8-23(11-14)18(25)13-4-5-13/h13-15,24H,2-12H2,1H3.
What are the key properties of cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70734371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).